2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine

C15H22FN — CID 112680421

IUPAC2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)C(C)C1c1ccccc1F
InChIInChI=1S/C15H22FN/c1-5-15(3)13(10(2)14(15)17-4)11-8-6-7-9-12(11)16/h6-10,13-14,17H,5H2,1-4H3
InChIKeyUWIGYDVSQQRTSV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.56
Rot. Bonds3

About 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine

2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine (PubChem CID 112680421) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine
PubChem CID112680421
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)C(C)C1c1ccccc1F
InChIInChI=1S/C15H22FN/c1-5-15(3)13(10(2)14(15)17-4)11-8-6-7-9-12(11)16/h6-10,13-14,17H,5H2,1-4H3
InChIKeyUWIGYDVSQQRTSV-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine (CID 112680421) is 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine is CCC1(C)C(NC)C(C)C1c1ccccc1F.
What is the InChIKey of 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine?
The InChIKey is UWIGYDVSQQRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-5-15(3)13(10(2)14(15)17-4)11-8-6-7-9-12(11)16/h6-10,13-14,17H,5H2,1-4H3.
What are the key properties of 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine?
2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine is sourced from PubChem (CID 112680421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).